%chk=000125676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125676

1 1
 O   -1.978700       2.680400     -0.7377000    
 N  -0.5555000      0.9923000      6.0999999E-03
 N    1.636000      -1.227700     -0.5519000    
 N   -1.421100      -1.214100      0.3348000    
 C    1.916900      0.2724000       1.341100    
 C   0.9763000     -0.7809000      0.6758000    
 C    1.379100       1.693800       1.292000    
 C  -0.4075000     -0.3102000      0.3260000    
 C    3.182700      8.9500003E-02  0.5466000    
 C   0.5975000       1.922200      1.5500000E-02
 C    2.955200     -0.7983000     -0.5057000    
 C   -1.841900       1.522400     -0.3726000    
 C    4.426100      0.6677000      0.7467000    
 C   -2.713200     -0.7492000      9.7300000E-02
 C   -2.960400      0.5817000     -0.2710000    
 C    3.960300      -1.092700      -1.410900    
 C   -1.230500      -2.665300      0.5843000    
 C    5.451000      0.3561000     -0.1476000    
 C    5.218600     -0.5159000      -1.221800    
 C   -3.847500      -1.578100      0.2251000    
 C   -4.255200       1.058500     -0.5307000    
 C   -5.142500      -1.111200     -2.8800000E-02
 C   -5.345800      0.2064000     -0.4126000    
 H    2.114600     -9.7000003E-03   2.383000    
 H   0.9347000      -1.615700       1.385400    
 H    2.181200       2.434300       1.385400    
 H   0.7051000       1.843800       2.145300    
 H   0.2512000       2.960700     -1.5000000E-03
 H    1.195000       1.754500     -0.8866000    
 H    1.339000      -2.028700      -1.090500    
 H    4.603000       1.349300       1.571700    
 H    3.784000      -1.758300      -2.249600    
 H   -1.505200      -2.894900       1.617900    
 H  -0.2031000      -2.983800      0.4038000    
 H   -1.829900      -3.256200     -0.1163000    
 H    6.435500      0.7968000     -1.6100001E-02
 H    6.024600     -0.7406000      -1.915200    
 H   -3.761400      -2.614500      0.5403000    
 H   -4.429000       2.092100     -0.8183000    
 H   -5.989600      -1.782700      7.9099998E-02
 H   -6.349200      0.5710000     -0.6093000    


%chk=000125676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125676

1 1
O -1.938994 2.704799 -0.784878
N -0.590255 0.930071 -0.042019
N 1.672887 -1.093825 -0.678674
N -1.483033 -1.218367 0.408325
C 1.940152 0.230194 1.343827
C 1.009785 -0.839169 0.622335
C 1.374535 1.673210 1.245524
C -0.414742 -0.365645 0.337886
C 3.251153 0.067340 0.571270
C 0.596472 1.849165 -0.064475
C 3.034635 -0.683206 -0.608919
C -1.877775 1.510465 -0.413449
C 4.523691 0.587642 0.856925
C -2.817997 -0.756695 0.149485
C -3.012422 0.591168 -0.273827
C 4.067867 -0.928640 -1.533559
C -1.325585 -2.670499 0.713222
C 5.582576 0.341897 -0.054945
C 5.350567 -0.406089 -1.234018
C -3.940806 -1.608723 0.303972
C -4.318227 1.068890 -0.552448
C -5.230759 -1.115609 0.028048
C -5.426830 0.220393 -0.406020
H 2.052341 -0.045603 2.406308
H 0.991366 -1.736088 1.268920
H 2.205734 2.397473 1.274523
H 0.708069 1.900740 2.098707
H 0.192191 2.864606 -0.190845
H 1.216313 1.600685 -0.943699
H 1.404600 -1.910814 -1.230389
H 4.706289 1.165951 1.769916
H 3.898643 -1.503300 -2.450002
H -1.729559 -2.898321 1.713371
H -0.273980 -2.971348 0.678025
H -1.868110 -3.253971 -0.047054
H 6.583430 0.731257 0.154159
H 6.176324 -0.587897 -1.929766
H -3.837240 -2.640011 0.645760
H -4.426287 2.108110 -0.877650
H -6.091764 -1.779197 0.154506
H -6.434854 0.586159 -0.619877


